Geometry & MOs

Info

ID:	318184
PubChem CID:	126649445
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	328.100561
ΔH_f, kcal/mol:	-12.06
Dipole, Da:	4.97
IP(EA), eV:	-9.69(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3,4,5,6,7-hexahydroxyheptoxy)-3-hydroxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)N(C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations